Podocarpa-8,11,13-trien-15-oic acid

HCID 42280

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Basic information

CAS: 57345-30-9
Standard SMILES: CC1(C(=O)O)CCCC2(C)c3ccccc3CCC12
InChIKey: AWKGAVJHWWZEMY-UHFFFAOYSA-N
Molecular formula: C17H22O2
Average molar mass: 258.35 g/mol
Monoisotopic mass: 258.16197994

Names & identifiers

Preferred name: Podocarpa-8,11,13-trien-15-oic acid
IUPAC: 1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Names & synonyms

57345-30-9SCHEMBL31181392DTXSID40972853AWKGAVJHWWZEMY-UHFFFAOYSA-NPodocarpa-8,11,13-trien-15-oic acid #Podocarpa-8(14),9(11),12-trien-15-oic acidpodocarpa-9(11),8(14),12-trien-15-oic acid1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, [1S-(1.alpha.,4a.alpha.,10a.alpha.)]-

Database identifiers

CAS: 57345-30-9
PubChem CID: 42280
DTXSID: DTXSID40972853

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 377

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